SCHEMBL4453306

SCHEMBL4453306

CCCCCCc1cc2c(cc1OCCCC(=O)O)C(=O)C(C)(C)C2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LTB4R Q15722 9/20 0.41
RXRA P19793 1/20 0.41
CNR2 P34972 4/20 0.40
CNR1 P21554 4/20 0.40
LTB4R2 Q9NPC1 6/20 0.39
SCD O00767 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
F13A1 P00488 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4450308 0.89 CNR2 (0.41) MEN1KMT2ACNR2CNR1
SCHEMBL4450305 0.86 PPARG (0.38) TSHRCNR2CNR1
SCHEMBL4450311 0.84 CYSLTR2 (0.36) TSHRLTB4RRXRALTB4R2SCD
SCHEMBL2303286 0.82 HTR2A (0.45) CNR2
SCHEMBL13956434 0.81 LTB4R (0.47) TSHRLTB4RCNR2CNR1LTB4R2
SCHEMBL4453277 0.81 LTB4R (0.47) TSHRLTB4RCNR2CNR1LTB4R2
SCHEMBL4450879 0.80 LTB4R (0.52) TSHRLTB4RCNR2CNR1LTB4R2
SCHEMBL2302044 0.79 MAPT (0.43) TSHRMEN1ALOX15KMT2A
SCHEMBL4448976 0.78 TSHR (0.42) TSHRLTB4RCNR2CNR1LTB4R2
SCHEMBL4450768 0.77 LTB4R (0.49) TSHRLTB4RCNR2CNR1LTB4R2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583738-B1 INDENONCARBOXYLIC ACIDS DERIVATIVES AND THEIR USE FOR THE TREATMENT OF AND PREVENTING DIABETES AND DYSLIPIDAEMIA MERCK PATENT GMBH (DE) 2017-05-10 EP disclosed
US-7482484-B2 Carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2009-01-27 US disclosed
US-20060111445-A1 Novel carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2006-05-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060111445-A1 Novel carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia NR1H3, LDLR, NR1H2 TSHR 53/4885MEN1 3761/4885ALOX15 668/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.